Hexahydro-oxolactone
TL;DR: Hexahydro-oxolactone (CAS 133774-80-8) is a chemical compound with molecular formula C30H27NO5 and molecular weight 481.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-3-oxo-5-pyridin-3-ylpent-1-enyl] (1R)-4-(2H-cyclopenta[b]furan-5-yl)-3-oxo-4-phenylcyclohexane-1-carboxylate
Also Known As: Hexahydro-oxolactone, [(E)-3-oxo-5-pyridin-3-ylpent-1-enyl] (1R)-4-(2H-cyclopenta[b]furan-5-yl)-3-oxo-4-phenylcyclohexane-1-carboxylate, 3A,4,5,6a-Hexahydro-2-oxo-4-(3-oxo-5-(3-pyridyl)-1-pentenyl)-2H-cyclopenta(b)furan-5-yl(1,1'-biphenyl)-4-carboxylate, 3Aalpha,4alpha(E),5beta,6aalpha-Hexahydro-2-oxo-4-(3-oxo-5-(3-pyridyl)-1-pentenyl)-2H-cyclopenta(b)furan-5-yl(1,1'-biphenyl)-4-carboxylate, 3A,4,5,6a-hexahydro-2-oxo-4-(3-oxo-5-(3-pyridyl)-1-pentenyl)-2H-cyclopenta(b)furan-5-yl(1,1/'-biphen
| Molecular Formula | C30H27NO5 |
|---|---|
| Molecular Weight | 481.19 g/mol |
| LogP | 4.7279 |
| Topological Polar Surface Area | 82.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 481.18893 |
| Heavy Atoms | 36 |
| Complexity | 1289.134 |
Chemical Identifiers
| CAS Number | 133774-80-8 |
|---|---|
| SMILES | C1CC(C(=O)C[C@@H]1C(=O)O/C=C/C(=O)CCC2=CN=CC=C2)(C3=CC=CC=C3)C4=CC5=CCOC5=C4 |
Product Overview
Hexahydro-oxolactone (CAS 133774-80-8), with molecular formula C30H27NO5 and molecular weight 481.19 g/mol. IUPAC: [(E)-3-oxo-5-pyridin-3-ylpent-1-enyl] (1R)-4-(2H-cyclopenta[b]furan-5-yl)-3-oxo-4-phenylcyclohexane-1-carboxylate.
Chemical Property Profile of Hexahydro-oxolactone
Property Insights of Hexahydro-oxolactone
The XLogP value of 4.7279 indicates that Hexahydro-oxolactone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.56 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexahydro-oxolactone. Following Lipinski's Rule of Five, Hexahydro-oxolactone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexahydro-oxolactone?
The CAS number of Hexahydro-oxolactone is 133774-80-8.
What is the molecular formula of Hexahydro-oxolactone?
The molecular formula of Hexahydro-oxolactone is C30H27NO5.
What is the molecular weight of Hexahydro-oxolactone?
The molecular weight of Hexahydro-oxolactone is 481.19 g/mol.
Where can I buy Hexahydro-oxolactone?
You can request a quote for Hexahydro-oxolactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexahydro-oxolactone?
Yes, KEHONG BIO provides custom synthesis services for Hexahydro-oxolactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.